Vitas-M small molecule compound

({[(2E)-1-(1H-benzotriazol-1-yl)propan-2-ylidene]amino}oxy)(2-chloro-4,5-difluorophenyl)methanone

Catalog ID
STK731353
SMILES C/C(=N\OC(=O)c1cc(F)c(cc1Cl)F)/Cn1nnc2c1cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H11ClF2N4O2 MW 364.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClF2N4O2/c1-9(8-23-15-5-3-2-4-14(15)20-22-23)21-25-16(24)10-6-12(18)13(19)7-11(10)17/h2-7H,8H2,1H3/b21-9+
InChIKey
JLFNMMWBXNYBBA-ZVBGSRNCSA-N
Synonyms
312500-00-8
((((2E)1(1Hbenzotriazol1yl)propan2ylidene)amino)oxy)(2chloro45difluorophenyl)methanone
((E)1(benzotriazol1yl)propan2ylideneamino)2chloro45difluorobenzoate
(E)1(1Hbenzo(d)(123)triazol1yl)propan2oneO(2chloro45difluorobenzoyl)oxime
1(1H123BENZOTRIAZOL1YL)ACETONEO(2CHLORO45DIFLUOROBENZOYL)OXIME
312500008
CC(=NOC(=O)C1=CC(=C(C=C1Cl)F)F)CN2C3=CC=CC=C3N=N2
CC(=NOC(=O)c1cc(F)c(cc1Cl)F)Cn1nnc2c1cccc2
InChI=1SC16H11ClF2N4O2c19(82315532414(15)202223)212516(24)10612(18)13(19)711(10)17h27H8H21H3b219+
MFCD01460553
ZINC000004492258
ZINC13108402

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.